BioLiP

PDB

BioLiP

PDB CCD ID:

5P9

Number of entries in BioLiP:

Chemical formula:

C15 H11 Cl N2 O2

InChI:

InChI=1S/C15H11ClN2O2/c16-9-5-6-14(17-8-9)18-15(20)12-7-13(19)11-4-2-1-3-10(11)12/h1-6,8,12H,7H2,(H,17,18,20)/t12-/m1/s1

InChIKey:

SHUGQXDCDVWNCL-GFCCVEGCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(NC(=O)[CH]2CC(=O)c3ccccc23)nc1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(CC2=O)C(=O)Nc3ccc(cn3)Cl
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3ccc(cn3)Cl
CACTVS 3.385	Clc1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc23)nc1

Name:

N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide;
(1~{R})-~{N}-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide

ZINC:

ZINC000038488460

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).